4-chloro-3-({[(3,4-dichlorophenyl)formamido]methanethioyl}amino)benzoic acid

4-chloro-3-({[(3,4-dichlorophenyl)formamido]methanethioyl}amino)benzoic acid

Formula: C15H9Cl3N2O3S

SMILES: OC(=O)C1=CC=C(Cl)C(NC(=S)NC(=O)C2=CC=C(Cl)C(Cl)=C2)=C1

IUPAC: 4-chloro-3-({[(3,4-dichlorophenyl)formamido]methanethioyl}amino)benzoic acid

InChI: InChI=1S/C15H9Cl3N2O3S/c16-9-3-1-7(5-11(9)18)13(21)20-15(24)19-12-6-8(14(22)23)2-4-10(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)

Composition: C (44.63%), H (2.25%), Cl (26.35%), N (6.94%), O (11.89%), S (7.94%)

Molar Mass: 403.66

Atom Count: 33

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.9399464
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	SOXYOJSSAMSOKR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	99.5
Topological Polar Surface Area	78.43
Polarizability	37.28
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H9Cl3N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00